chempirical

Secnidazole

C7H11N3O3CAS 3366-95-8185.18 g/mol

Open in Covalent MOL file
NN+OO−NOH
AlcoholNitro

Properties

Molecular formula
C7H11N3O3
Molar mass
185.18 g/mol
Exact mass
185.0800 Da
Melting point
76 °C
logP
0.48Crippen estimate
Polar surface area
81.2 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
3366-95-8
SMILES
Cc1ncc([N+](=O)[O-])n1CC(C)O
InChIKey
KPQZUUQMTUIKBP-UHFFFAOYSA-N
InChI
InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 1H-Imidazole-1-ethanol, α,2-dimethyl-5-nitro-
  • Imidazole-1-ethanol, α,2-dimethyl-5-nitro-
  • α,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol
  • RP 14539
  • Flagentyl
  • PM 185184
  • 1-(2-Methyl-5-nitroimidazol-1-yl)-2-propanol
  • Secnol
  • Sabima
  • SYM 1219
  • Deprozol
  • Solosec
  • 1-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol

Work with Secnidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ornidazole16773-42-569 % similar Metronidazole443-48-163 % similar Dimetridazole551-92-852 % similar Tinidazole19387-91-852 % similar Carnidazole42116-76-750 % similar Metronidazole benzoate13182-89-346 % similar 2-Hydroxymethyl-1-methyl-5-nitroimidazole936-05-042 % similar Ronidazole7681-76-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook